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Related entries of code: 3jzc
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1n46RCSB PDB    PDBbind258aa, >1N46:B|PDBID|CHAIN|... at 100%
1naxRCSB PDB    PDBbind252aa, >1NAX:A|PDBID|CHAIN|... at 100%
1nq0RCSB PDB    PDBbind263aa, >1NQ0:A|PDBID|CHAIN|... at 98%
1q4xRCSB PDB    PDBbind253aa, >1Q4X:A|PDBID|CHAIN|... at 100%
1r6gRCSB PDB    PDBbind259aa, >1R6G:A|PDBID|CHAIN|... at 99%
1xzxRCSB PDB    PDBbind281aa, >1XZX:X|PDBID|CHAIN|... *
1y0xRCSB PDB    PDBbind281aa, >1Y0X:X|PDBID|CHAIN|... at 100%
2j4aRCSB PDB    PDBbind253aa, >2J4A:A|PDBID|CHAIN|... at 99%
3gwsRCSB PDB    PDBbind259aa, >3GWS:X|PDBID|CHAIN|... at 100%
3imyRCSB PDB    PDBbind261aa, >3IMY:A|PDBID|CHAIN|... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1nq0RCSB PDB    PDBbind4HY
3jzbRCSB PDB    PDBbind4HY
4yx9RCSB PDB    PDBbind4HY

Entry Information
PDB ID3jzc
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTHRA protein beta
Ligand Name4HY
EC.Number E.C.-.-.-.-
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)IC50=2.94nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Proc.Natl.Acad.Sci.USA
Ligand Properties
Formula C14H9I3O4
Molecular Weight 621.932
Exact Mass 621.764
No. of atoms 30
No. of bonds 31
Polar Surface Area 66.76
LOGP Value 5.39      (Computed with XLOGP3)
4.63      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): P10828  
Entrez Gene IDNCBI Entrez Gene ID: 7068  
ASDInformation of known allosteric effects of PDB entries

 
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